2-ethylsulfonylpropan-2-ol

C5H12O3S — CID 117037301

IUPAC2-ethylsulfonylpropan-2-ol
SMILESCCS(=O)(=O)C(C)(C)O
InChIInChI=1S/C5H12O3S/c1-4-9(7,8)5(2,3)6/h6H,4H2,1-3H3
InChIKeyLVZLLVXZLDZIPP-UHFFFAOYSA-N
MW152.22 g/mol
LogP0.15
Rot. Bonds2

About 2-ethylsulfonylpropan-2-ol

2-ethylsulfonylpropan-2-ol (PubChem CID 117037301) has the molecular formula C5H12O3S and a molecular weight of 152.22 g/mol. Its IUPAC name is 2-ethylsulfonylpropan-2-ol.

Molecular Properties

Compound Name2-ethylsulfonylpropan-2-ol
PubChem CID117037301
Molecular FormulaC5H12O3S
Molecular Weight152.22 g/mol
Exact Mass152.05
IUPAC Name2-ethylsulfonylpropan-2-ol
SMILESCCS(=O)(=O)C(C)(C)O
InChIInChI=1S/C5H12O3S/c1-4-9(7,8)5(2,3)6/h6H,4H2,1-3H3
InChIKeyLVZLLVXZLDZIPP-UHFFFAOYSA-N
XLogP0.15
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.22
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonylpropan-2-ol?
The IUPAC name of 2-ethylsulfonylpropan-2-ol (CID 117037301) is 2-ethylsulfonylpropan-2-ol.
What is the SMILES notation for 2-ethylsulfonylpropan-2-ol?
The canonical SMILES for 2-ethylsulfonylpropan-2-ol is CCS(=O)(=O)C(C)(C)O.
What is the InChIKey of 2-ethylsulfonylpropan-2-ol?
The InChIKey is LVZLLVXZLDZIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O3S/c1-4-9(7,8)5(2,3)6/h6H,4H2,1-3H3.
What are the key properties of 2-ethylsulfonylpropan-2-ol?
2-ethylsulfonylpropan-2-ol has a molecular weight of 152.22 g/mol, XLogP of 0.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonylpropan-2-ol is sourced from PubChem (CID 117037301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).